5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(5-methyl-3-phenyl-2-pyridinyl)-5-N-(5-methyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine

C69H58F2N4O — CID 134597270

IUPAC5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(5-methyl-3-phenyl-2-pyridinyl)-5-N-(5-methyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
SMILESCc1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4oc5ccccc5c24)-c2ccc(N(c4ccc(C(C)(C)C)cc4)c4ncc(C)cc4-c4ccccc4)cc2C3(c2cccc(F)c2)c2cccc(F)c2)nc1
InChIInChI=1S/C69H58F2N4O/c1-43-24-35-62(72-41-43)75(53-31-27-47(28-32-53)68(6,7)8)60-40-59-63(65-64(60)56-22-12-13-23-61(56)76-65)55-34-33-54(39-58(55)69(59,48-18-14-20-50(70)37-48)49-19-15-21-51(71)38-49)74(52-29-25-46(26-30-52)67(3,4)5)66-57(36-44(2)42-73-66)45-16-10-9-11-17-45/h9-42H,1-8H3
InChIKeyXRLPVXUSEQUHCP-UHFFFAOYSA-N
MW997.25 g/mol
LogP18.84
Rot. Bonds9

About 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(5-methyl-3-phenyl-2-pyridinyl)-5-N-(5-methyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine

5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(5-methyl-3-phenyl-2-pyridinyl)-5-N-(5-methyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine (PubChem CID 134597270) has the molecular formula C69H58F2N4O and a molecular weight of 997.25 g/mol. Its IUPAC name is 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(5-methyl-3-phenyl-2-pyridinyl)-5-N-(5-methyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine.

Molecular Properties

Compound Name5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(5-methyl-3-phenyl-2-pyridinyl)-5-N-(5-methyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
PubChem CID134597270
Molecular FormulaC69H58F2N4O
Molecular Weight997.25 g/mol
Exact Mass996.46
IUPAC Name5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(5-methyl-3-phenyl-2-pyridinyl)-5-N-(5-methyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
SMILESCc1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4oc5ccccc5c24)-c2ccc(N(c4ccc(C(C)(C)C)cc4)c4ncc(C)cc4-c4ccccc4)cc2C3(c2cccc(F)c2)c2cccc(F)c2)nc1
InChIInChI=1S/C69H58F2N4O/c1-43-24-35-62(72-41-43)75(53-31-27-47(28-32-53)68(6,7)8)60-40-59-63(65-64(60)56-22-12-13-23-61(56)76-65)55-34-33-54(39-58(55)69(59,48-18-14-20-50(70)37-48)49-19-15-21-51(71)38-49)74(52-29-25-46(26-30-52)67(3,4)5)66-57(36-44(2)42-73-66)45-16-10-9-11-17-45/h9-42H,1-8H3
InChIKeyXRLPVXUSEQUHCP-UHFFFAOYSA-N
XLogP18.84
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.25
LogP ≤ 518.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(5-methyl-3-phenyl-2-pyridinyl)-5-N-(5-methyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(5-methyl-3-phenyl-2-pyridinyl)-5-N-(5-methyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine?
The IUPAC name of 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(5-methyl-3-phenyl-2-pyridinyl)-5-N-(5-methyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine (CID 134597270) is 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(5-methyl-3-phenyl-2-pyridinyl)-5-N-(5-methyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine.
What is the SMILES notation for 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(5-methyl-3-phenyl-2-pyridinyl)-5-N-(5-methyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine?
The canonical SMILES for 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(5-methyl-3-phenyl-2-pyridinyl)-5-N-(5-methyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine is Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4oc5ccccc5c24)-c2ccc(N(c4ccc(C(C)(C)C)cc4)c4ncc(C)cc4-c4ccccc4)cc2C3(c2cccc(F)c2)c2cccc(F)c2)nc1.
What is the InChIKey of 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(5-methyl-3-phenyl-2-pyridinyl)-5-N-(5-methyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine?
The InChIKey is XRLPVXUSEQUHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H58F2N4O/c1-43-24-35-62(72-41-43)75(53-31-27-47(28-32-53)68(6,7)8)60-40-59-63(65-64(60)56-22-12-13-23-61(56)76-65)55-34-33-54(39-58(55)69(59,48-18-14-20-50(70)37-48)49-19-15-21-51(71)38-49)74(52-29-25-46(26-30-52)67(3,4)5)66-57(36-44(2)42-73-66)45-16-10-9-11-17-45/h9-42H,1-8H3.
What are the key properties of 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(5-methyl-3-phenyl-2-pyridinyl)-5-N-(5-methyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine?
5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(5-methyl-3-phenyl-2-pyridinyl)-5-N-(5-methyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine has a molecular weight of 997.25 g/mol, XLogP of 18.84, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,9-N-bis(4-tert-butylphenyl)-7,7-bis(3-fluorophenyl)-9-N-(5-methyl-3-phenyl-2-pyridinyl)-5-N-(5-methyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine is sourced from PubChem (CID 134597270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).